SCHEMBL4879913

SCHEMBL4879913

C=CCOC(=O)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.49
BRCA1 P38398 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6379833 0.84 NPC1 (0.55) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL21104444 0.81 ALDH1A1 (0.51) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL7757826 0.80 NPC1 (0.58) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL6536489 0.79 ALDH1A1 (0.56) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL433221 0.79 ALDH1A1 (0.56) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL27908167 0.79 NPC1 (0.47) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL8924559 0.79 ALDH1A1 (0.49) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL1433300 0.78 NPC1 (0.60) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL20912441 0.78 NPC1 (0.52) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL422787 0.77 RAB9A (0.62) NPC1RAB9ALMNAALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119301127-A 6-Oxo-decahydro pyrrolo [1,2-a ] [1,5] diazocine and 6-oxo-decahydro-4H-pyrrolo [2,1-d ] [1,5] thiaazacine derivatives as modulators of STAT3 and STAT6 for the treatment of cancer and inflammatory conditions 瑞克鲁迪克斯制药股份有限公司 2025-01-10 CN disclosed
CN-119183453-A STAT modulators and uses thereof 瑞克鲁迪克斯制药股份有限公司 2024-12-24 CN disclosed
WO-2008060268-A2 TAILORABLE HYDROPHILIC SURFACE MODIFICATION NORTHWESTERN UNIVERSITY (US) 2008-05-22 WO disclosed